Geometry & MOs

Info

ID:	369925
PubChem CID:	127336771
Reduced:	SO2N3C21H33 (1)
Stoich.:	AB2C3D21E33 (1)
Weight, g/mol:	373.203528
ΔH_f, kcal/mol:	-76.89
Dipole, Da:	5.17
IP(EA), eV:	-8.33(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-2-(oxan-4-yl)ethyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(CNC(=O)N2CCS(=O)C(C2C)C)C3=CC=CC=C3

DOS

IR

Vibrations